5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine

C18H36N2O — CID 64847284

IUPAC5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
SMILESCCC(C)C1CN(CC2CCCCO2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H36N2O/c1-6-14(2)16-13-20(12-15-9-7-8-10-21-15)17(11-19-16)18(3,4)5/h14-17,19H,6-13H2,1-5H3
InChIKeyWNPIGXSZCNQCAS-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds4

About 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine

5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine (PubChem CID 64847284) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
PubChem CID64847284
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine
SMILESCCC(C)C1CN(CC2CCCCO2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H36N2O/c1-6-14(2)16-13-20(12-15-9-7-8-10-21-15)17(11-19-16)18(3,4)5/h14-17,19H,6-13H2,1-5H3
InChIKeyWNPIGXSZCNQCAS-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639
5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235
1-(oxolan-2-ylmethyl)-2,5-di(propan-2-yl)piperazine
CID 64839224
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458682
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
CID 103141252
2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine
CID 65461068
2-[(5-butan-2-yl-2-tert-butylpiperazin-1-yl)methyl]pyrimidine
CID 64849982
5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
CID 64841812

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine (CID 64847284) is 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine is CCC(C)C1CN(CC2CCCCO2)C(C(C)(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine?
The InChIKey is WNPIGXSZCNQCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-14(2)16-13-20(12-15-9-7-8-10-21-15)17(11-19-16)18(3,4)5/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine?
5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-tert-butyl-1-(oxan-2-ylmethyl)piperazine is sourced from PubChem (CID 64847284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).